2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

C21H18FN3O2 — CID 137030979

IUPAC2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCc1nc2c(nc1NC(=O)Cc1ccc(F)cc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C21H18FN3O2/c1-12-21(25-19(27)10-13-2-5-15(22)6-3-13)24-18-9-4-14-11-16(26)7-8-17(14)20(18)23-12/h2-3,5-8,11,26H,4,9-10H2,1H3,(H,24,25,27)
InChIKeyAIESWGSUBBBADG-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide

2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (PubChem CID 137030979) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
PubChem CID137030979
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide
SMILESCc1nc2c(nc1NC(=O)Cc1ccc(F)cc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C21H18FN3O2/c1-12-21(25-19(27)10-13-2-5-15(22)6-3-13)24-18-9-4-14-11-16(26)7-8-17(14)20(18)23-12/h2-3,5-8,11,26H,4,9-10H2,1H3,(H,24,25,27)
InChIKeyAIESWGSUBBBADG-UHFFFAOYSA-N
XLogP3.58
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide (CID 137030979) is 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is Cc1nc2c(nc1NC(=O)Cc1ccc(F)cc1)CCc1cc(O)ccc1-2.
What is the InChIKey of 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
The InChIKey is AIESWGSUBBBADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-12-21(25-19(27)10-13-2-5-15(22)6-3-13)24-18-9-4-14-11-16(26)7-8-17(14)20(18)23-12/h2-3,5-8,11,26H,4,9-10H2,1H3,(H,24,25,27).
What are the key properties of 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide?
2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide has a molecular weight of 363.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(8-hydroxy-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)acetamide is sourced from PubChem (CID 137030979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).